Vitas-M small molecule compound

(1-benzyl-2,3-dimethyl-1H-indol-5-yl)(4-benzylpiperazin-1-yl)methanone

Catalog ID
STL181823
SMILES O=C(c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C)N1CCN(CC1)Cc1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H31N3O MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O/c1-22-23(2)32(21-25-11-7-4-8-12-25)28-14-13-26(19-27(22)28)29(33)31-17-15-30(16-18-31)20-24-9-5-3-6-10-24/h3-14,19H,15-18,20-21H2,1-2H3
InChIKey
NVAGGRBLSDEQHV-UHFFFAOYSA-N
Synonyms

(1benzyl23dimethyl1Hindol5yl)(4benzylpiperazin1yl)methanone
(1BENZYL23DIMETHYLINDOL5YL)(4BENZYLPIPERAZIN1YL)METHANONE
CC1=C(N(C2=C1C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5)C
InChI=1SC29H31N3Oc12223(2)32(2125117481225)28141326(1927(22)28)29(33)31171530(161831)202495361024h31419H15182021H212H3
MFCD00322628
ZINC000019855685
ZINC19855685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.